Chem
J-GLOBAL ID：200907034639786830   Nikkaji number：J1.593.835H

Purvalanol

プルバラノール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H25ClN6O
Molecular formula furigana： C19-H25-CL-N6-O
Molecular weight： 388.900
InChI： InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
InChI key： PMXCMJLOPOFPBT-HNNXBMFYSA-N
SMILES： CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Systematic name  (4)：
  • (R)-2-[[6-[(3-クロロフェニル)アミノ]-9-イソプロピル-9H-プリン-2-イル]アミノ]-3-メチル-1-ブタノール
  • 2-[[(R)-1-(ヒドロキシメチル)-2-メチルプロピル]アミノ]-6-[(5-クロロフェニル)アミノ]-9-イソプロピル-9H-プリン
  • (2R)-2-({6-[(3-クロロフェニル)アミノ]-9-(プロパン-2-イル)-9H-プリン-2-イル}アミノ)-3-メチルブタン-1-オール
  • (2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
Other name (6)：
  • (R)-2-[[6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purine-2-yl]amino]-3-methyl-1-butanol
  • (R)-プルバラノールA
  • (R)-Purvalanol A
  • 2-[[(R)-1-(Hydroxymethyl)-2-methylpropyl]amino]-6-[(5-chlorophenyl)amino]-9-isopropyl-9H-purine
  • Purvalanol
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